N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide

C43H59F3N8O6S2 — CID 157123494

IUPACN,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide
SMILESCC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCN(CCC(F)(F)F)C2)CC1.CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCNC2)CC1
InChIInChI=1S/C23H31F3N4O3S.C20H28N4O3S/c1-16-6-11-29(12-7-16)22(31)17-4-5-20-18(14-17)19-15-28(13-9-23(24,25)26)10-8-21(19)30(20)34(32,33)27(2)3;1-14-7-10-23(11-8-14)20(25)15-4-5-18-16(12-15)17-13-21-9-6-19(17)24(18)28(26,27)22(2)3/h4-5,14,16H,6-13,15H2,1-3H3;4-5,12,14,21H,6-11,13H2,1-3H3
InChIKeyAIGCOUCNTYKVNH-UHFFFAOYSA-N
MW905.12 g/mol
LogP5.29
Rot. Bonds8

About N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide

N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide (PubChem CID 157123494) has the molecular formula C43H59F3N8O6S2 and a molecular weight of 905.12 g/mol. Its IUPAC name is N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide
PubChem CID157123494
Molecular FormulaC43H59F3N8O6S2
Molecular Weight905.12 g/mol
Exact Mass904.40
IUPAC NameN,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide
SMILESCC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCN(CCC(F)(F)F)C2)CC1.CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCNC2)CC1
InChIInChI=1S/C23H31F3N4O3S.C20H28N4O3S/c1-16-6-11-29(12-7-16)22(31)17-4-5-20-18(14-17)19-15-28(13-9-23(24,25)26)10-8-21(19)30(20)34(32,33)27(2)3;1-14-7-10-23(11-8-14)20(25)15-4-5-18-16(12-15)17-13-21-9-6-19(17)24(18)28(26,27)22(2)3/h4-5,14,16H,6-13,15H2,1-3H3;4-5,12,14,21H,6-11,13H2,1-3H3
InChIKeyAIGCOUCNTYKVNH-UHFFFAOYSA-N
XLogP5.29
TPSA140.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.12
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide with MolForge

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Related Compounds

N-[4-(4-{2-[2-(3,5-Dimethyl-phenyl)-5-(pyrrolidine-1-carbonyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenyl]-methanesulfonamide
CID 44292988
5-[4-[4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-4-yl]piperazine-1-carbonyl]-6-phenyl-2-pyridinyl]-2-methyl-1H-indole-3-carbonitrile
CID 46898084
1-[4-[4-[4-[2-[2-[(dimethylamino)methyl]-3-methyl-1H-indol-5-yl]-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 46898085
1-[4-[4-[4-[2-(2,3-dimethyl-1H-indol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798375
1-[4-[4-[4-[2-Phenyl-6-(1,2,3-trimethylindol-5-yl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798376
1-[4-[4-[4-[2-(3-ethyl-2-methyl-1H-indol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798377
CID 49798378
CID 49798378
1-[4-[4-[4-[2-(2-methyl-1H-indol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798383
1-[4-[4-[4-[2-(1,2-Dimethylindol-5-yl)-6-phenylpyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 49798385
5-[4-[[4-[1-[(1-Acetyl-4-piperidinyl)carbonyl]-4-piperidinyl]-1-piperazinyl]carbonyl]-6-phenyl-2-pyridinyl]-1,3-dihydro-2H-indol-2-one
CID 49798387
CID 49798394
CID 49798394
1-[4-[4-[4-[2-(2,3-dimethyl-1H-indol-5-yl)-6-(4-methylphenyl)pyridine-4-carbonyl]piperazin-1-yl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 53320034

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide (CID 157123494) is N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide is CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCN(CCC(F)(F)F)C2)CC1.CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)N(C)C)CCNC2)CC1.
What is the InChIKey of N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide?
The InChIKey is AIGCOUCNTYKVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O3S.C20H28N4O3S/c1-16-6-11-29(12-7-16)22(31)17-4-5-20-18(14-17)19-15-28(13-9-23(24,25)26)10-8-21(19)30(20)34(32,33)27(2)3;1-14-7-10-23(11-8-14)20(25)15-4-5-18-16(12-15)17-13-21-9-6-19(17)24(18)28(26,27)22(2)3/h4-5,14,16H,6-13,15H2,1-3H3;4-5,12,14,21H,6-11,13H2,1-3H3.
What are the key properties of N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide?
N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide has a molecular weight of 905.12 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole-5-sulfonamide;N,N-dimethyl-8-(4-methylpiperidine-1-carbonyl)-2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-5-sulfonamide is sourced from PubChem (CID 157123494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).